cis,cis-Muconic acid

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Systematic / IUPAC Name: (2Z,4Z)-2,4-Hexadienedioic acid

ID: Reference346

Other Names: cis,cis-Muconate;
(2Z,4Z)-Hexa-2,4-dienedioic acid;
cis,cis-2,4-Hexadienedioic acid;
cis,cis-Hexadienedioate;
(Z,Z)-2,4-Hexadienedioic acid ; more

Formula: C6H6O4

Class: Endogenous Metabolites

Spectral Data

cis,cis-Muconic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 481
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 12/19/2014 12:00:17 PM
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Identificators

InChI InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
InChI Key TXXHDPDFNKHHGW-CCAGOZQPSA-N
Canonical SMILES C(=C\C(=O)O)\C=C/C(=O)O
CAS 1119728
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Other Names cis,cis-Muconate;
(2Z,4Z)-Hexa-2,4-dienedioic acid;
cis,cis-2,4-Hexadienedioic acid;
cis,cis-Hexadienedioate;
(Z,Z)-2,4-Hexadienedioic acid;
2,4-Hexadienedioic acid, (Z,Z)-;
2Z,4Z-Hexadienedioic acid;
cis-cis-Hexadienedioic acid;
(Z,Z)-2,4-Hexadienedioate

In Other Databases

ChEBI CHEBI:16508
KEGG C02480
ChemIDPlus 001119728
ChemSpider 4444151
Wikipedia Muconic acid
HMDb HMDB06331
PubChem 5280518